1-(2,2-difluoroethyl)-3-methylpiperidine

C8H15F2N — CID 76573077

IUPAC1-(2,2-difluoroethyl)-3-methylpiperidine
SMILESCC1CCCN(CC(F)F)C1
InChIInChI=1S/C8H15F2N/c1-7-3-2-4-11(5-7)6-8(9)10/h7-8H,2-6H2,1H3
InChIKeyAEICGJGPQRCEBO-UHFFFAOYSA-N
MW163.21 g/mol
LogP1.98
Rot. Bonds2

About 1-(2,2-difluoroethyl)-3-methylpiperidine

1-(2,2-difluoroethyl)-3-methylpiperidine (PubChem CID 76573077) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-methylpiperidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-methylpiperidine
PubChem CID76573077
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name1-(2,2-difluoroethyl)-3-methylpiperidine
SMILESCC1CCCN(CC(F)F)C1
InChIInChI=1S/C8H15F2N/c1-7-3-2-4-11(5-7)6-8(9)10/h7-8H,2-6H2,1H3
InChIKeyAEICGJGPQRCEBO-UHFFFAOYSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-methylpiperidine?
The IUPAC name of 1-(2,2-difluoroethyl)-3-methylpiperidine (CID 76573077) is 1-(2,2-difluoroethyl)-3-methylpiperidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-methylpiperidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-methylpiperidine is CC1CCCN(CC(F)F)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-methylpiperidine?
The InChIKey is AEICGJGPQRCEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-7-3-2-4-11(5-7)6-8(9)10/h7-8H,2-6H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-methylpiperidine?
1-(2,2-difluoroethyl)-3-methylpiperidine has a molecular weight of 163.21 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-methylpiperidine is sourced from PubChem (CID 76573077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).